N'-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-4-spiro[acridine-9,9'-xanthene]-10-ylbenzenecarboximidamide

C46H34N4O — CID 139443630

IUPACN'-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-4-spiro[acridine-9,9'-xanthene]-10-ylbenzenecarboximidamide
SMILESCC1(C)c2ccccc2-c2nc(/N=C(\N)c3ccc(N4c5ccccc5C5(c6ccccc6Oc6ccccc65)c5ccccc54)cc3)ccc21
InChIInChI=1S/C46H34N4O/c1-45(2)32-14-4-3-13-31(32)43-37(45)27-28-42(48-43)49-44(47)29-23-25-30(26-24-29)50-38-19-9-5-15-33(38)46(34-16-6-10-20-39(34)50)35-17-7-11-21-40(35)51-41-22-12-8-18-36(41)46/h3-28H,1-2H3,(H2,47,48,49)
InChIKeyAMQFJKTXFZFFII-UHFFFAOYSA-N
MW658.81 g/mol
LogP10.70
Rot. Bonds3

About N'-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-4-spiro[acridine-9,9'-xanthene]-10-ylbenzenecarboximidamide

N'-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-4-spiro[acridine-9,9'-xanthene]-10-ylbenzenecarboximidamide (PubChem CID 139443630) has the molecular formula C46H34N4O and a molecular weight of 658.81 g/mol. Its IUPAC name is N'-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-4-spiro[acridine-9,9'-xanthene]-10-ylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-4-spiro[acridine-9,9'-xanthene]-10-ylbenzenecarboximidamide
PubChem CID139443630
Molecular FormulaC46H34N4O
Molecular Weight658.81 g/mol
Exact Mass658.27
IUPAC NameN'-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-4-spiro[acridine-9,9'-xanthene]-10-ylbenzenecarboximidamide
SMILESCC1(C)c2ccccc2-c2nc(/N=C(\N)c3ccc(N4c5ccccc5C5(c6ccccc6Oc6ccccc65)c5ccccc54)cc3)ccc21
InChIInChI=1S/C46H34N4O/c1-45(2)32-14-4-3-13-31(32)43-37(45)27-28-42(48-43)49-44(47)29-23-25-30(26-24-29)50-38-19-9-5-15-33(38)46(34-16-6-10-20-39(34)50)35-17-7-11-21-40(35)51-41-22-12-8-18-36(41)46/h3-28H,1-2H3,(H2,47,48,49)
InChIKeyAMQFJKTXFZFFII-UHFFFAOYSA-N
XLogP10.70
TPSA63.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.81
LogP ≤ 510.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-4-spiro[acridine-9,9'-xanthene]-10-ylbenzenecarboximidamide?
The IUPAC name of N'-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-4-spiro[acridine-9,9'-xanthene]-10-ylbenzenecarboximidamide (CID 139443630) is N'-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-4-spiro[acridine-9,9'-xanthene]-10-ylbenzenecarboximidamide.
What is the SMILES notation for N'-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-4-spiro[acridine-9,9'-xanthene]-10-ylbenzenecarboximidamide?
The canonical SMILES for N'-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-4-spiro[acridine-9,9'-xanthene]-10-ylbenzenecarboximidamide is CC1(C)c2ccccc2-c2nc(/N=C(\N)c3ccc(N4c5ccccc5C5(c6ccccc6Oc6ccccc65)c5ccccc54)cc3)ccc21.
What is the InChIKey of N'-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-4-spiro[acridine-9,9'-xanthene]-10-ylbenzenecarboximidamide?
The InChIKey is AMQFJKTXFZFFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N4O/c1-45(2)32-14-4-3-13-31(32)43-37(45)27-28-42(48-43)49-44(47)29-23-25-30(26-24-29)50-38-19-9-5-15-33(38)46(34-16-6-10-20-39(34)50)35-17-7-11-21-40(35)51-41-22-12-8-18-36(41)46/h3-28H,1-2H3,(H2,47,48,49).
What are the key properties of N'-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-4-spiro[acridine-9,9'-xanthene]-10-ylbenzenecarboximidamide?
N'-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-4-spiro[acridine-9,9'-xanthene]-10-ylbenzenecarboximidamide has a molecular weight of 658.81 g/mol, XLogP of 10.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-4-spiro[acridine-9,9'-xanthene]-10-ylbenzenecarboximidamide is sourced from PubChem (CID 139443630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).